(2-Aminooxy-Ethyl)-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Ylmethyl]-Methyl-Sulfonium

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Formula C13H21N6O4S+
IUPAC Name 2-aminooxyethyl-[[(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium
Molecular Mass 357.409 g·mol−1
Heat of Formation 1702.7 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 367.53 Å 3
Surface Area 342.59 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -3.04 ± eV
Point Group Symmetry C1
InChIKey RMAOLICYOBWFLA-JGJUSBHYSA-N
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